2-(2,4-dimethylphenyl)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]ethanamide

Systemtic Name: 2-(2,4-dimethylphenyl)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]ethanamide Openeye Name: 2-(2,4-dimethylphenyl)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 2-(2,4-dimethylphenyl)-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-(2,4-dimethylphenyl)-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC)C

InChI

InChI=1S/C20H21N3O3S2/c1-13-4-5-15(14(2)10-13)11-19(24)21-20-22(8-9-27-3)17-7-6-16(23(25)26)12-18(17)28-20/h4-7,10,12H,8-9,11H2,1-3H3